5-[(5-chloro-2-pyridinyl)methoxy]-2-[2-[2-methyl-4-(pyrrolidin-1-ylmethyl)phenyl]-2-oxoethyl]pyridazin-3-one

C24H25ClN4O3 — CID 71731048

IUPAC5-[(5-chloro-2-pyridinyl)methoxy]-2-[2-[2-methyl-4-(pyrrolidin-1-ylmethyl)phenyl]-2-oxoethyl]pyridazin-3-one
SMILESCc1cc(CN2CCCC2)ccc1C(=O)Cn1ncc(OCc2ccc(Cl)cn2)cc1=O
InChIInChI=1S/C24H25ClN4O3/c1-17-10-18(14-28-8-2-3-9-28)4-7-22(17)23(30)15-29-24(31)11-21(13-27-29)32-16-20-6-5-19(25)12-26-20/h4-7,10-13H,2-3,8-9,14-16H2,1H3
InChIKeyOTMIJBMKVBEOGC-UHFFFAOYSA-N
MW452.94 g/mol
LogP3.66
Rot. Bonds8

About 5-[(5-chloro-2-pyridinyl)methoxy]-2-[2-[2-methyl-4-(pyrrolidin-1-ylmethyl)phenyl]-2-oxoethyl]pyridazin-3-one

5-[(5-chloro-2-pyridinyl)methoxy]-2-[2-[2-methyl-4-(pyrrolidin-1-ylmethyl)phenyl]-2-oxoethyl]pyridazin-3-one (PubChem CID 71731048) has the molecular formula C24H25ClN4O3 and a molecular weight of 452.94 g/mol. Its IUPAC name is 5-[(5-chloro-2-pyridinyl)methoxy]-2-[2-[2-methyl-4-(pyrrolidin-1-ylmethyl)phenyl]-2-oxoethyl]pyridazin-3-one.

Molecular Properties

Compound Name5-[(5-chloro-2-pyridinyl)methoxy]-2-[2-[2-methyl-4-(pyrrolidin-1-ylmethyl)phenyl]-2-oxoethyl]pyridazin-3-one
PubChem CID71731048
Molecular FormulaC24H25ClN4O3
Molecular Weight452.94 g/mol
Exact Mass452.16
IUPAC Name5-[(5-chloro-2-pyridinyl)methoxy]-2-[2-[2-methyl-4-(pyrrolidin-1-ylmethyl)phenyl]-2-oxoethyl]pyridazin-3-one
SMILESCc1cc(CN2CCCC2)ccc1C(=O)Cn1ncc(OCc2ccc(Cl)cn2)cc1=O
InChIInChI=1S/C24H25ClN4O3/c1-17-10-18(14-28-8-2-3-9-28)4-7-22(17)23(30)15-29-24(31)11-21(13-27-29)32-16-20-6-5-19(25)12-26-20/h4-7,10-13H,2-3,8-9,14-16H2,1H3
InChIKeyOTMIJBMKVBEOGC-UHFFFAOYSA-N
XLogP3.66
TPSA77.32 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.94
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-[(5-chloro-2-pyridinyl)methoxy]-2-[2-[2-methyl-4-(pyrrolidin-1-ylmethyl)phenyl]-2-oxoethyl]pyridazin-3-one?
The IUPAC name of 5-[(5-chloro-2-pyridinyl)methoxy]-2-[2-[2-methyl-4-(pyrrolidin-1-ylmethyl)phenyl]-2-oxoethyl]pyridazin-3-one (CID 71731048) is 5-[(5-chloro-2-pyridinyl)methoxy]-2-[2-[2-methyl-4-(pyrrolidin-1-ylmethyl)phenyl]-2-oxoethyl]pyridazin-3-one.
What is the SMILES notation for 5-[(5-chloro-2-pyridinyl)methoxy]-2-[2-[2-methyl-4-(pyrrolidin-1-ylmethyl)phenyl]-2-oxoethyl]pyridazin-3-one?
The canonical SMILES for 5-[(5-chloro-2-pyridinyl)methoxy]-2-[2-[2-methyl-4-(pyrrolidin-1-ylmethyl)phenyl]-2-oxoethyl]pyridazin-3-one is Cc1cc(CN2CCCC2)ccc1C(=O)Cn1ncc(OCc2ccc(Cl)cn2)cc1=O.
What is the InChIKey of 5-[(5-chloro-2-pyridinyl)methoxy]-2-[2-[2-methyl-4-(pyrrolidin-1-ylmethyl)phenyl]-2-oxoethyl]pyridazin-3-one?
The InChIKey is OTMIJBMKVBEOGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25ClN4O3/c1-17-10-18(14-28-8-2-3-9-28)4-7-22(17)23(30)15-29-24(31)11-21(13-27-29)32-16-20-6-5-19(25)12-26-20/h4-7,10-13H,2-3,8-9,14-16H2,1H3.
What are the key properties of 5-[(5-chloro-2-pyridinyl)methoxy]-2-[2-[2-methyl-4-(pyrrolidin-1-ylmethyl)phenyl]-2-oxoethyl]pyridazin-3-one?
5-[(5-chloro-2-pyridinyl)methoxy]-2-[2-[2-methyl-4-(pyrrolidin-1-ylmethyl)phenyl]-2-oxoethyl]pyridazin-3-one has a molecular weight of 452.94 g/mol, XLogP of 3.66, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(5-chloro-2-pyridinyl)methoxy]-2-[2-[2-methyl-4-(pyrrolidin-1-ylmethyl)phenyl]-2-oxoethyl]pyridazin-3-one is sourced from PubChem (CID 71731048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).